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New topic/tutorial: Materials science/uep tutorial #4656

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patrick-austin
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Adding new tutorial and topic for materials science, using Muon tools (developed as part of EuroScienceGateway).

This is our (https://github.com/muon-spectroscopy-computational-project) first contribution to GTN. Work originally started over a year ago, but following updates to the tools the content was most recently (re-)written by @leandro-liborio . CI passed on our fork back in December, but if there have been changes to the required syntax or any other tests fail I'll try and resolve those.

If there's anything else needed before this can be merged, please do let us/me know.

patrick-austin and others added 24 commits November 21, 2022 15:13
…roscopy-computational-project/training-material into patrick/1-materials-tutorials

Conflicts:
	topics/materials-science/tutorials/muspinsim/tutorial.md
Some additions to the slides
Hi there,

I have made several changes to this.  Please load it into the webpage so that I can see them
…trick/1_formatting_changes

Formatting and typo corrections #1
…trick/1-uep-airss-tutorial

UEP-AIRSS Tutorial ONLY
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Overall this looks quite well developed, thank you for adding this! I've made some small comments but it shouldn't be much work to get it merged.

Comment on lines +12 to +13
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- joelvdavies
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if it's for ESG, do you want to add a funding: key with appropriate values?

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Didn't realise this was a feature - thanks for the suggestion. Our work with Galaxy/the muon tools has been funded by other bodies as well (e.g. the ALC in the UK) - would it be OK to add them as well to https://github.com/galaxyproject/training-material/blob/main/FUNDERS.yaml ?

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Yes, you can add more than one :)
Please do!

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Hi there,

Just to understand: you want us to add funding to each of the names?

Just a minor point the funding: we have, essentially, three sources of funding for the Galaxy work. The Ada Lovelace Centre, from STFC; the Physical Sciences Data Infrastructure (PSDI, the equivalent to Germany's NFDI) and the ESG. But we are using them for different things, and I understand that it is important that we are clear about that.

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@leandro-liborio as I understand it funding is a section within contributions alongside authorship, editing. So I don't think we associate funding directly with our individual names (at least - that wasn't how it seemed to work in the other tutorials I looked at...) and it appears in a different section of the tutorial, for example here's the funding for a climate tutorial. As in that example more than one funder can be listed.

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Hi there,

I need to ask the relevant people in the lab about how to reference the Ada Lovelace Centre and the the Physical Sciences Data Infrastructure funding. In the meantime, Patrick have addressed all of the other issues here and we were wondering if we could merge this into the GTN. This is because we would like to see the full thing working (the videos streaming from Galaxy YouTube, the links to the Galaxy tools working) before we present it to our muon colleagues.

Thanks

Leandro

- elichad
- patrick-austin
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- leandro-liborio
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same funding question here

Comment on lines +30 to +31
AIRSS: Ab Initio Random Structure Search
DFT: Density Functional Theory
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cool to see these used!

interpretation of muon experimental results. As it was mentioned in the lecture,
the problem of finding the muon stopping site has been previously
tackled using computational tools, and one of the most common methods is the so-called
Unperturbed Electrostatic Potential (UEP) method, which identifies proposes that
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Suggested change
Unperturbed Electrostatic Potential (UEP) method, which identifies proposes that
{UEP} method, which identifies proposes that

on first use of {<abbreviation>} it'll be expanded, if you want to help your learners remember and refresh their knowledge of this acronym easily later, just enclose more uses of UEP with braces, as {UEP}, and it'll automatically be turned into an HTML abbreviation. (you may wish to do this for other abbreviations you've defined as well.)

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Thanks for picking up on this - I really like the abbreviations feature, I think some of these may have been present originally but lost during editing and rewrites etc. I've put them back in where I could find them.

---


# Introduction
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Suggested change
# Introduction

this section heading is unnecessary, we can generate a better article preview without it.

unperturbed electrostatic potential energy. Once it stopped, the muon may spend
the rest of its time in that position until it decays.

![Graphical illustration of muons being implanted in a sample, then decaying to a positron and being detected](../../images/muon_spectroscopy_diagram.png)
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the alt text is quite ok! thanks for writing it well!

host material's interstitial spaces with muons that are
randomly distributed muonin accordance with certain physical constraints.

![Physical Constraints for Random Distribution of Muons](../../images/Create-random-structures.png)
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It looks like this alt-text doesn't describe the image very well for users who are relying on a screen reader to access the content. We have a short guide on what's appropriate for alt-text vs captions in the GTN Contributing Guide which has more details. This comment may apply to more images, please consider checking all of them.

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Have added the more descriptive alt text to all the images.

![Classifying Mininima of the Host Material's Electrostatic Potential](../../images/theoretical_basis_of_our_variant_of_the_UEP_method.png)


LIMITATIONS OF THE METHOD - WARNINGS
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is this section pending?

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@leandro-liborio might have some text to put here - will check whether there's something to add or whether to remove this bit

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That was a reminder for myself that should be removed.

@patrick-austin
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Overall this looks quite well developed, thank you for adding this! I've made some small comments but it shouldn't be much work to get it merged.

Made requested changes, please let me know if I missed one or there's anything else needed.

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Super cool, thanks a lot @patrick-austin and @leandro-liborio

@bgruening bgruening merged commit 1f9cb2b into galaxyproject:main Jan 22, 2024
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4 participants